-
4
-
-
0042236956
-
-
Hirata, F.; Pettitt, B. M.; Rossky, P. J. J. Chem. Phys. 1982, 77, 509-520.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 509-520
-
-
Hirata, F.1
Pettitt, B.M.2
Rossky, P.J.3
-
5
-
-
36749104937
-
-
Hirata, F.; Rossky, P. J.; Pettitt, B. M. J. Chem. Phys. 1983, 78, 4133-4144.
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4133-4144
-
-
Hirata, F.1
Rossky, P.J.2
Pettitt, B.M.3
-
13
-
-
23544444889
-
-
Ten-no, S.; Hirata, F.; Kalo, S. Chem. Phys. Lett. 1993,214, 391.
-
(1993)
Chem. Phys. Lett.
, vol.214
, pp. 391
-
-
Ten-no, S.1
Hirata, F.2
Kalo, S.3
-
14
-
-
0000564292
-
-
Ten-no, S.; Hirata, F.; Kalo, S. J. Chem. Phys. 1994, 700, 7443.
-
(1994)
J. Chem. Phys.
, vol.700
, pp. 7443
-
-
Ten-no, S.1
Hirata, F.2
Kalo, S.3
-
15
-
-
0001408116
-
-
Kawata, M.; Ten-no, S.; Kato, S.; Hirata, F. J. Am. Chem. Soc. 1995, 117, 1638.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1638
-
-
Kawata, M.1
Ten-no, S.2
Kato, S.3
Hirata, F.4
-
16
-
-
0000013504
-
-
Kawata, M.; Ten-no, S.; Kato, S.; Hirata, F. Chem. Phys. Lett. 1995, 240, 199.
-
(1995)
Chem. Phys. Lett.
, vol.240
, pp. 199
-
-
Kawata, M.1
Ten-no, S.2
Kato, S.3
Hirata, F.4
-
17
-
-
85033044127
-
-
Kawata, M.; Ten-no, S.; Kato, S.; Hirata, F. Chem. Phys., submitted for publication.
-
Chem. Phys., Submitted for Publication.
-
-
Kawata, M.1
Ten-no, S.2
Kato, S.3
Hirata, F.4
-
18
-
-
0023346161
-
-
Bash, P. A.; Singh, U. C.; Langridge, R.; Kollman, P. A. Science 1987, 236, 564-568.
-
(1987)
Science
, vol.236
, pp. 564-568
-
-
Bash, P.A.1
Singh, U.C.2
Langridge, R.3
Kollman, P.A.4
-
23
-
-
0000988940
-
-
Hiraoka, K.; Yamdagni, R.; Kebarle, P. J. Am. Chem. Soc. 1973, 95, 6833.
-
(1973)
Am. Chem. Soc.
, vol.95
, pp. 6833
-
-
Hiraoka, K.1
Yamdagni, R.2
Kebarle, P.J.3
-
27
-
-
33751144304
-
-
Caldwell, G.; McMahon, T. B.; Kebarle, P.; Bartmess, J. E.; Kiplinger, J. P. J. Am. Chem. Soc. 1985, 707, 80.
-
(1985)
J. Am. Chem. Soc.
, vol.707
, pp. 80
-
-
Caldwell, G.1
McMahon, T.B.2
Kebarle, P.3
Bartmess, J.E.4
Kiplinger, J.P.5
-
28
-
-
0001229230
-
-
Jinfeng, C.; Topsom, R. D.; Headley, A. D.; Keppel, I.; Mishima, M.; Taft, R. W.; Veji, S. J. Mol. Struct. (THEOCHEM) 1988, 768, 141.
-
(1988)
Mol. Struct. (THEOCHEM)
, vol.768
, pp. 141
-
-
Jinfeng, C.1
Topsom, R.D.2
Headley, A.D.3
Keppel, I.4
Mishima, M.5
Taft, R.W.6
Veji, S.J.7
-
30
-
-
84988058733
-
-
Jain, D. C; de Gale, D.; Sapse, A. M. J. Comput. Chem. 1989,10, 1031.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 1031
-
-
Jain, D.C.1
De Gale, D.2
Sapse, A.M.3
-
34
-
-
2442617487
-
-
Binkley, J. S.; Pople, J. A.; Hehre, W. J. J. Am. Chem. Soc. 1980, 102, 939-947.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939-947
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
35
-
-
0003568278
-
-
Shaefer, HI, H. F., Ed.; Plenum Press: New York
-
Dunning, Jr., T. H.; Hay, P. J. In Modem Theoretical Chemistry; Shaefer, HI, H. F., Ed.; Plenum Press: New York, 1977; Vol. 3.
-
(1977)
Modem Theoretical Chemistry
, pp. 3
-
-
Dunning, Jr.1
Hay, P.J.2
-
37
-
-
0039482795
-
-
Pullman, B., Ed.; Reidel: Dordrecht
-
Berendsen, H. J. C.; Postma, J. P. M.; van Gunstern, W. F.; Hermas, J. In Intermodular Forces; Pullman, B., Ed.; Reidel: Dordrecht, 1981.
-
(1981)
Intermodular Forces
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunstern, W.F.3
Hermas, J.4
-
38
-
-
1242346370
-
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269-6271.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
39
-
-
85033039147
-
-
The van der Waals parameters of a = 1.0 A and e = 0.0545 kcal/ mol are assigned to the H site.
-
The van der Waals parameters of a = 1.0 A and e = 0.0545 kcal/ mol are assigned to the H site.
-
-
-
-
41
-
-
33747580185
-
-
Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ohio, C.; Alagona, G.; Profeta, Jr., S.; Weiner, P. J. Am. Chem. Soc. 1984, 706,765784.
-
(1984)
J. Am. Chem. Soc.
, vol.706
, pp. 765784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ohio, C.5
Alagona, G.6
Profeta, Jr.7
Weiner, P.8
-
42
-
-
84988053694
-
-
Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230-252.
-
(1986)
Comput. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.J.4
-
45
-
-
85033061405
-
-
ffay = CTOOL + ffnO/2, fay = (faafjr)"2-
-
ffay = (CTOOL + ffnO/2, fay = (faafjr)"2-
-
-
-
-
46
-
-
85033060773
-
-
Private communication.
-
Rained, F. Private communication.
-
-
-
Rained, F.1
|